[Pw_forum] band population / smearing parameter

[Paolo Giannozzi]

On Mon, 2013-12-09 at 11:18 -0600, Partha Pal wrote

> I tried using "verbosity="high"" but it gives me results that I am
> unable to interpret [....]
> because they seem to be the same as "wk" (which I assume is the
> weighting factors) from the input k-points.

in the version of the code you are using, what is printed is the 
product of "wk" (weighting factors) with the occupation number,
ranging from 0 to 1. If you get either "wk" or 0, this means that
your states are either fully occupied or empty.

More recent versions of the code just print the occupation number,
unless wk=0.

> bandstruct.out gives all populations to be zero. 
> 
> I am attaching SOME PARTS of both the output files and I will be happy
> to read any document which might have the answer I am looking for. 
> 
> 
> Thanks,
> 
> 
> Partha
> 
> 
> 
> 
> 
> Partha Pratim Pal
> 
> Postdoctoral Research Scholar
> 
> Seideman Group
> 
> Department of Chemistry
> 
> Northwestern University
> 
> Evanston, IL 60208
> 
> USA
> 
> 
> 
> 
> 
> On Wed, Dec 4, 2013 at 1:39 AM, Paolo Giannozzi
> <paolo.giannozzi at uniud.it> wrote:
>         On Tue, 2013-12-03 at 15:56 -0600, Partha Pal wrote:
>         
>         >  Is there a way I can get the band population in an output
>         file ?
>         
>         
>         I think that if option verbosity='high' the code prints band
>         populations
>         
>         P.
>         
>         --
>         Paolo Giannozzi, Dept. Chemistry&Physics&Environment,
>         Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
>         Phone +39-0432-558216, fax +39-0432-558222
>         
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-- 
Paolo Giannozzi, Dept. Chemistry&Physics&Environment, 
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222